N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide

C16H17NO4S — CID 90535802

IUPACN-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CCOc2ccccc21)c1ccccc1
InChIInChI=1S/C16H17NO4S/c18-16(10-11-21-15-9-5-4-8-14(15)16)12-17-22(19,20)13-6-2-1-3-7-13/h1-9,17-18H,10-12H2
InChIKeyOIRJDWLZISQSST-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.64
Rot. Bonds4

About N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide

N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide (PubChem CID 90535802) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide
PubChem CID90535802
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC NameN-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CCOc2ccccc21)c1ccccc1
InChIInChI=1S/C16H17NO4S/c18-16(10-11-21-15-9-5-4-8-14(15)16)12-17-22(19,20)13-6-2-1-3-7-13/h1-9,17-18H,10-12H2
InChIKeyOIRJDWLZISQSST-UHFFFAOYSA-N
XLogP1.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide (CID 90535802) is N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide is O=S(=O)(NCC1(O)CCOc2ccccc21)c1ccccc1.
What is the InChIKey of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide?
The InChIKey is OIRJDWLZISQSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c18-16(10-11-21-15-9-5-4-8-14(15)16)12-17-22(19,20)13-6-2-1-3-7-13/h1-9,17-18H,10-12H2.
What are the key properties of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide?
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide has a molecular weight of 319.38 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 90535802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).